N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide

C24H26F6N4O2 — CID 166008899

IUPACN-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C24H26F6N4O2/c1-13(2)21(35)33-17-5-3-4-14(10-17)22(36)32-16-8-6-15(7-9-16)31-18-11-19(23(25,26)27)34-20(12-18)24(28,29)30/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,31,34)(H,32,36)(H,33,35)
InChIKeyOWHKYOPHVZQRAQ-UHFFFAOYSA-N
MW516.49 g/mol
LogP5.87
Rot. Bonds6

About N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide

N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide (PubChem CID 166008899) has the molecular formula C24H26F6N4O2 and a molecular weight of 516.49 g/mol. Its IUPAC name is N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide
PubChem CID166008899
Molecular FormulaC24H26F6N4O2
Molecular Weight516.49 g/mol
Exact Mass516.20
IUPAC NameN-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C24H26F6N4O2/c1-13(2)21(35)33-17-5-3-4-14(10-17)22(36)32-16-8-6-15(7-9-16)31-18-11-19(23(25,26)27)34-20(12-18)24(28,29)30/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,31,34)(H,32,36)(H,33,35)
InChIKeyOWHKYOPHVZQRAQ-UHFFFAOYSA-N
XLogP5.87
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.49
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide with MolForge

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Related Compounds

3-acetamido-N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 163399498
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-4-chlorobenzamide;sulfane
CID 167653712
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(propanoylamino)benzamide
CID 163267091
3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 167109293
N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
CID 30772760
N-cyclopropyl-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 24535194
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide
CID 166008900
N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
CID 35743719
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide (CID 166008899) is N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1cccc(C(=O)NC2CCC(Nc3cc(C(F)(F)F)nc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide?
The InChIKey is OWHKYOPHVZQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6N4O2/c1-13(2)21(35)33-17-5-3-4-14(10-17)22(36)32-16-8-6-15(7-9-16)31-18-11-19(23(25,26)27)34-20(12-18)24(28,29)30/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,31,34)(H,32,36)(H,33,35).
What are the key properties of N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide?
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide has a molecular weight of 516.49 g/mol, XLogP of 5.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 166008899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).